Inter-DNA electrostatics from explicit solvent molecular dynamics simulations

Alexey Savelyev; Garegin A. Papoian

doi:10.1021/ja070207t

Inter-DNA electrostatics from explicit solvent molecular dynamics simulations

Alexey Savelyev, Garegin A. Papoian

Chemistry

University of North Carolina at Chapel Hill

Research output: Contribution to journal › Article › peer-review

57 Scopus citations

Abstract

Electrostatic repulsion between two DNA molecules, computed from explicit water-free energy simulations, is screened stronger by Na⁺ counterions than K⁺ counterions. An effective electrostatic potential was constructed for a coarse-grained model, where each base pair is represented by a bead.

Original language	English
Pages (from-to)	6060-6061
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	129
Issue number	19
DOIs	https://doi.org/10.1021/ja070207t
State	Published - May 16 2007

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abstract = "Electrostatic repulsion between two DNA molecules, computed from explicit water-free energy simulations, is screened stronger by Na+ counterions than K+ counterions. An effective electrostatic potential was constructed for a coarse-grained model, where each base pair is represented by a bead.",

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Inter-DNA electrostatics from explicit solvent molecular dynamics simulations

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